3-[3-cyclopropyl-5-[2-(4-iodophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-cyclopropyl-5-[2-(4-iodophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-cyclopropyl-5-[2-(4-iodophenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-cyclopropyl-5-[[2-(4-iodophenyl)-2-oxoethyl]thio]-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-cyclopropyl-5-[2-(4-iodophenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-cyclopropyl-5-[[2-(4-iodophenyl)-2-keto-ethyl]thio]-1,2,4-triazol-4-yl]propionamide Formula: C16H17IN4O2S MolecularWeight: 456.30125

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CCC(=O)N)SCC(=O)C3=CC=C(C=C3)I

Isomeric SMILES

C1CC1C2=NN=C(N2CCC(=O)N)SCC(=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C16H17IN4O2S/c17-12-5-3-10(4-6-12)13(22)9-24-16-20-19-15(11-1-2-11)21(16)8-7-14(18)23/h3-6,11H,1-2,7-9H2,(H2,18,23)